Spektraris NMR
7-O-Galloyltricetiflavan
Common Name: 7-O-Galloyltricetiflavan
Synonyms: 7-O-Galloyltricetiflavan
CAS Registry Number:
InChI: InChI=1S/C22H18O10/c23-13-7-11(31-22(30)10-5-16(26)21(29)17(27)6-10)8-19-12(13)1-2-18(32-19)9-3-14(24)20(28)15(25)4-9/h3-8,18,23-29H,1-2H2
InChIKey: InChIKey=XQLJWQWRTLHKGO-UHFFFAOYSA-N
Formula: C22H18O10
Molecular Weight: 442.373173
Exact Mass: 442.089997
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, Y., Leung, K.T., Yao, F., Ooi, L.S., Ooi, V.E. J Nat Prod (2006) 69, 833-5
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 79.07 |
| 3 (CH2) | 20.38 |
| 4 (CH2) | 30.41 |
| 5 (C) | 157.4 |
| 6 (CH) | 101.59 |
| 7 (C) | 151.46 |
| 8 (CH) | 102.41 |
| 9 (C) | 157.76 |
| 10 (C) | 108.68 |
| 1' (C) | 134.01 |
| 2' (CH) | 106.3 |
| 3' (C) | 146.79 |
| 4' (C) | 133.93 |
| 5' (C) | 146.79 |
| 6' (CH) | 106.3 |
| 7a (C) | 167.1 |
| 7b (C) | 120.71 |
| 7c (CH) | 110.59 |
| 7d (C) | 147.05 |
| 7e (C) | 140.69 |
| 7f (C) | 147.05 |
| 7g (CH) | 110.59 |
